N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine

C141H168F12N28O3 — CID 159012191

IUPACN-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine
SMILESCC(=O)c1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)nc1.CC(=O)c1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)nc1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ccc(C3CC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(NC(=O)C3CC3)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C37H45F3N8O.C37H45F3N6.C35H42F3N7O.C32H36F3N7O/c1-22-12-26(14-29(13-22)37(38,39)40)20-47(35-41-16-30(17-42-35)43-34(49)27-10-11-27)21-28-15-31-23(2)45-48(36(3,4)5)33(31)44-32(28)46(18-24-6-7-24)19-25-8-9-25;1-23-14-27(16-31(15-23)37(38,39)40)21-44(33-13-12-29(18-41-33)28-10-11-28)22-30-17-32-24(2)43-46(36(3,4)5)35(32)42-34(30)45(19-25-6-7-25)20-26-8-9-26;1-21-11-26(13-29(12-21)35(36,37)38)19-44(33-39-15-28(16-40-33)23(3)46)20-27-14-30-22(2)42-45(34(4,5)6)32(30)41-31(27)43(17-24-7-8-24)18-25-9-10-25;1-19-9-24(11-27(10-19)32(33,34)35)17-42(31-36-13-26(14-37-31)21(3)43)18-25-12-28-20(2)39-40(4)30(28)38-29(25)41(15-22-5-6-22)16-23-7-8-23/h12-17,24-25,27H,6-11,18-21H2,1-5H3,(H,43,49);12-18,25-26,28H,6-11,19-22H2,1-5H3;11-16,24-25H,7-10,17-20H2,1-6H3;9-14,22-23H,5-8,15-18H2,1-4H3
InChIKeyJSQCRIIUYKJTMX-UHFFFAOYSA-N
MW2531.06 g/mol
LogP30.80
Rot. Bonds45

About N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine

N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine (PubChem CID 159012191) has the molecular formula C141H168F12N28O3 and a molecular weight of 2531.06 g/mol. Its IUPAC name is N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine
PubChem CID159012191
Molecular FormulaC141H168F12N28O3
Molecular Weight2531.06 g/mol
Exact Mass2529.37
IUPAC NameN-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine
SMILESCC(=O)c1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)nc1.CC(=O)c1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)nc1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ccc(C3CC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(NC(=O)C3CC3)cn2)cc(C(F)(F)F)c1
InChIInChI=1S/C37H45F3N8O.C37H45F3N6.C35H42F3N7O.C32H36F3N7O/c1-22-12-26(14-29(13-22)37(38,39)40)20-47(35-41-16-30(17-42-35)43-34(49)27-10-11-27)21-28-15-31-23(2)45-48(36(3,4)5)33(31)44-32(28)46(18-24-6-7-24)19-25-8-9-25;1-23-14-27(16-31(15-23)37(38,39)40)21-44(33-13-12-29(18-41-33)28-10-11-28)22-30-17-32-24(2)43-46(36(3,4)5)35(32)42-34(30)45(19-25-6-7-25)20-26-8-9-26;1-21-11-26(13-29(12-21)35(36,37)38)19-44(33-39-15-28(16-40-33)23(3)46)20-27-14-30-22(2)42-45(34(4,5)6)32(30)41-31(27)43(17-24-7-8-24)18-25-9-10-25;1-19-9-24(11-27(10-19)32(33,34)35)17-42(31-36-13-26(14-37-31)21(3)43)18-25-12-28-20(2)39-40(4)30(28)38-29(25)41(15-22-5-6-22)16-23-7-8-23/h12-17,24-25,27H,6-11,18-21H2,1-5H3,(H,43,49);12-18,25-26,28H,6-11,19-22H2,1-5H3;11-16,24-25H,7-10,17-20H2,1-6H3;9-14,22-23H,5-8,15-18H2,1-4H3
InChIKeyJSQCRIIUYKJTMX-UHFFFAOYSA-N
XLogP30.80
TPSA302.23 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds45
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002531.06
LogP ≤ 530.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Analyze N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide
CID 71539514
N-(2-(((6-(bis(cyclopropylmethyl)amino)-1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)(3,5-bis(trifluoromethyl)benzyl)amino)pyrimidin-5-yl) isobutyramide
CID 71539516
3-cyano-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]benzamide;3,3,3-trifluoro-N-[2-methyl-6-[2-[(1-methylpyrazol-3-yl)-(3,3,3-trifluoropropanoyl)amino]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]propanamide
CID 87152389
N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-2-methylpropanamide
CID 118642730
N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide
CID 118642732
2-methyl-N-(5-methyl-2-pyridinyl)-1-[2-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-pyridinyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123241140
N-(5-fluoro-3-pyridinyl)-1-[6-methyl-5-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-2-pyridinyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123373661
1-[6-methyl-2-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]pyrimidin-4-yl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123415167
N-(2,6-dimethylpyrimidin-4-yl)-1-[2-methyl-6-[[5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4-pyridinyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-1-ium-3-carboxamide
CID 123456844
N-[6-[(4,4-difluoropiperidin-1-yl)methyl]-2-pyridinyl]-8-[3-fluoro-1-[[6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-2-pyridinyl]methyl]pyrrolidin-2-yl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 123737199
N-(2,3-dimethyl-4-pyridinyl)-2-methyl-1-[[5-[[2-methyl-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-pyridinyl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-8-ium-3-carboxamide
CID 123775868
N-[4-[[6-(3,3-difluoropyrrolidin-1-yl)-3-[(4,6-dimethyl-2-pyridinyl)carbamoyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]methyl]-6-methyl-2-pyridinyl]-6-(3-fluoropyrrolidin-1-yl)-1-[2-[[6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carbonyl]amino]-6-methyl-4-pyridinyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123839257

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine?
The IUPAC name of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine (CID 159012191) is N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine.
What is the SMILES notation for N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine?
The canonical SMILES for N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine is CC(=O)c1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)nc1.CC(=O)c1cnc(N(Cc2cc(C)cc(C(F)(F)F)c2)Cc2cc3c(C)nn(C)c3nc2N(CC2CC2)CC2CC2)nc1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ccc(C3CC3)cn2)cc(C(F)(F)F)c1.Cc1cc(CN(Cc2cc3c(C)nn(C(C)(C)C)c3nc2N(CC2CC2)CC2CC2)c2ncc(NC(=O)C3CC3)cn2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine?
The InChIKey is JSQCRIIUYKJTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45F3N8O.C37H45F3N6.C35H42F3N7O.C32H36F3N7O/c1-22-12-26(14-29(13-22)37(38,39)40)20-47(35-41-16-30(17-42-35)43-34(49)27-10-11-27)21-28-15-31-23(2)45-48(36(3,4)5)33(31)44-32(28)46(18-24-6-7-24)19-25-8-9-25;1-23-14-27(16-31(15-23)37(38,39)40)21-44(33-13-12-29(18-41-33)28-10-11-28)22-30-17-32-24(2)43-46(36(3,4)5)35(32)42-34(30)45(19-25-6-7-25)20-26-8-9-26;1-21-11-26(13-29(12-21)35(36,37)38)19-44(33-39-15-28(16-40-33)23(3)46)20-27-14-30-22(2)42-45(34(4,5)6)32(30)41-31(27)43(17-24-7-8-24)18-25-9-10-25;1-19-9-24(11-27(10-19)32(33,34)35)17-42(31-36-13-26(14-37-31)21(3)43)18-25-12-28-20(2)39-40(4)30(28)38-29(25)41(15-22-5-6-22)16-23-7-8-23/h12-17,24-25,27H,6-11,18-21H2,1-5H3,(H,43,49);12-18,25-26,28H,6-11,19-22H2,1-5H3;11-16,24-25H,7-10,17-20H2,1-6H3;9-14,22-23H,5-8,15-18H2,1-4H3.
What are the key properties of N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine?
N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine has a molecular weight of 2531.06 g/mol, XLogP of 30.80, 45 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]cyclopropanecarboxamide;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-[2-[[6-[bis(cyclopropylmethyl)amino]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]ethanone;1-tert-butyl-N,N-bis(cyclopropylmethyl)-5-[[(5-cyclopropyl-2-pyridinyl)-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]amino]methyl]-3-methylpyrazolo[5,4-b]pyridin-6-amine is sourced from PubChem (CID 159012191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).